methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate

C18H23NO4 — CID 47019212

IUPACmethyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Cc2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C18H23NO4/c1-22-17(21)18(8-3-2-4-9-18)19-16(20)12-13-5-6-15-14(11-13)7-10-23-15/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,20)
InChIKeyWKJYKRLOUZTOIS-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.16
Rot. Bonds4

About methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate

methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 47019212) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate
PubChem CID47019212
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Namemethyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Cc2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C18H23NO4/c1-22-17(21)18(8-3-2-4-9-18)19-16(20)12-13-5-6-15-14(11-13)7-10-23-15/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,20)
InChIKeyWKJYKRLOUZTOIS-UHFFFAOYSA-N
XLogP2.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120887242
2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119214924
methyl 4-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzoate
CID 51075520
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 110787098
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 111334716
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111335774
methyl 1-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylate
CID 116922177
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110771131
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
2-(3,4-dihydro-2H-chromen-6-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110771122

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate (CID 47019212) is methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)Cc2ccc3c(c2)CCO3)CCCCC1.
What is the InChIKey of methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is WKJYKRLOUZTOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-22-17(21)18(8-3-2-4-9-18)19-16(20)12-13-5-6-15-14(11-13)7-10-23-15/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,20).
What are the key properties of methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 317.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 47019212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).